F235-0419 Screening compound: 2-(acetylamino)-N~1~-[1-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-4-piperidyl]-3-(3-fluorophenyl)propanamide

F235-0419 Screening compound: 2-(acetylamino)-N~1~-[1-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-4-piperidyl]-3-(3-fluorophenyl)propanamide
F235-0419 Screening compound: 2-(acetylamino)-N~1~-[1-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-4-piperidyl]-3-(3-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-0419
2-(acetylamino)-N~1~-[1-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-4-piperidyl]-3-(3-fluorophenyl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F235-0419

Molecular Formula

C24H28FN7O2 (C24 H28 FN7 O2)

Compound Name

2-(acetylamino)-N~1~-[1-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-4-piperidyl]-3-(3-fluorophenyl)propanamide

IUPAC name

2-acetamido-3-(3-fluorophenyl)-N-(1-{181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-27911-tetraen-2-yl}piperidin-4-yl)propanamide

SMILES

CC(NC(Cc1cccc(F)c1)C(NC(CC1)CCN1c1c(CCC2)c2nc2ncnn12)=O)=O

InChI

InChI=1S/C24H28FN7O2/c1-15(33)28-21(13-16-4-2-5-17(25)12-16)22(34)29-18-8-10-31(11-9-18)23-19-6-3-7-20(19)30-24-26-14-27-32(23)24/h2,4-5,12,14,18,21H,3,6-11,13H2,1H3,(H,28,33)(H,29,34)/t21-/m0/s1

InChI Key

GSNGIXPYFJFOOW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07789302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

1.836

Water Solubility, LogSw

-2.07

Polar Surface Area

88.157

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

F235-0419 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F235-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-0419?
Check Price and Availability of F235-0419, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F235-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-0419
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F235-0419 available by request